Sugi Predict

Sugi Predict / Compounds / SCHEMBL7084968

SCHEMBL7084968

SCHEMBL7084968

COC(=O)c1ccc([N+](=O)[O-])c(CO)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.56
▸ HTT P42858 1/20 0.52
▸ AKR1C4 P17516 1/20 0.50
▸ AKR1C3 P42330 1/20 0.50
▸ AKR1C2 P52895 1/20 0.50
▸ AKR1C1 Q04828 1/20 0.50
▸ KMT2A Q03164 3/20 0.48
▸ AR P10275 1/20 0.48
▸ PELP1 Q8IZL8 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HPGD P15428 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ FLT1 P17948 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18013199 0.89 VCAM1 (0.61) VCAM1HTTAKR1C4AKR1C3AKR1C2
SCHEMBL30208600 0.88 VCAM1 (0.53) VCAM1HTTAKR1C4AKR1C3AKR1C2
SCHEMBL28640811 0.88 VCAM1 (0.53) VCAM1HTTAKR1C4AKR1C3AKR1C2
SCHEMBL3085325 0.88 VCAM1 (0.59) VCAM1HTTKMT2APOLBHPGD
SCHEMBL4285904 0.87 VCAM1 (0.55) VCAM1HTTAKR1C4AKR1C3AKR1C2
SCHEMBL29995132 0.87 VCAM1 (0.55) VCAM1HTTAKR1C4AKR1C3AKR1C2
SCHEMBL2876988 0.87 VCAM1 (0.55) VCAM1HTTAKR1C4AKR1C3AKR1C2
SCHEMBL8418958 0.85 VCAM1 (0.53) VCAM1HTTAKR1C4AKR1C3AKR1C2
SCHEMBL3970290 0.85 VCAM1 (0.53) VCAM1HTTAKR1C4AKR1C3AKR1C2
SCHEMBL16466482 0.85 KMT2A (0.63) KMT2APOLBHPGDALDH1A1NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12139614-B2 Photoactivatable fluorescent dyes with hydrophilic caging groups and their use MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2024-11-12 — — US disclosed
US-11655269-B2 Prodrug-type anticancer agent using cancer-specific enzymatic activity THE UNIVERSITY OF TOKYO (JP) 2023-05-23 — — US disclosed
US-20220064452-A1 PHOTOACTIVATABLE FLUORESCENT DYES WITH HYDROPHILIC CAGING GROUPS AND THEIR USE MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2022-03-03 — — US disclosed
EP-3960817-A1 PHOTOACTIVATABLE FLUORESCENT DYES WITH HYDROPHILIC CAGING GROUPS AND THEIR USE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2022-03-02 — — EP disclosed
US-9649373-B2 Neoseptins: small molecule adjuvants THE SCRIPPS INSTITUTE (US) 2017-05-16 — — US disclosed
US-9649373-B2 Neoseptins: small molecule adjuvants THE SCRIPPS INSTITUTE (US) 2017-05-16 — — US disclosed
EP-2958889-B1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS SCRIPPS RESEARCH INST (US) 2017-03-22 — — EP disclosed
US-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 — — US disclosed
US-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 — — US disclosed
WO-2014131023-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-08-28 — — WO disclosed
US-5929098-A Fungicidically active N-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1999-07-27 — — US disclosed
CN-1211736-A Use of certain amides as probes for detection of antitubulin activity and resistance monitoring ROHM & HAAS (US) 1999-03-24 — — CN disclosed
US-5874466-A REACTING AMINE AND ACYL CHLORIDE, HYDROGENOLYSIS ROHM AND HAAS COMPANY (US) 1999-02-23 — — US disclosed
EP-0880893-A1 Method for controlling algae ROHM AND HAAS COMPANY (US) 1998-12-02 — — EP disclosed
EP-0878192-A2 Method for treating protozoal infections Allegheny University of The Health Sciences (US) 1998-11-18 — — EP disclosed
CN-1198330-A Method for treating protozoal infections ALLEGHENY UNIVERSITY OF THE HE (US) 1998-11-11 — — CN disclosed
EP-0843018-A1 Use of certain amides as probes for detection of antitubulin activity and resistance monitoring ROHM AND HAAS COMPANY (US) 1998-05-20 — — EP disclosed
EP-0834311-A1 Method for inhibiting the growth of mammalian cells ROHM AND HAAS COMPANY (US) 1998-04-08 — — EP disclosed
EP-0816331-A1 Fungicidally active n-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1998-01-07 — — EP disclosed
EP-0816328-A2 Process for the manufacture of acetonylbenzamides ROHM AND HAAS COMPANY (US) 1998-01-07 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11655269-B2 Prodrug-type anticancer agent using cancer-specific enzymatic activity GUSB, NTPCR, FOLH1 VCAM1 4675/4885HTT 4819/4885AKR1C4 616/4885
US-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS TLR2, TLR4, TLR1 VCAM1 2113/4885HTT 3141/4885AKR1C4 4874/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.